1-(2,4-Dichlorophenyl)-4,5-dihydro-5-methyl-1H-pyrazole-3,5-dicarboxylic acid - CAS 135591-00-3
Catalog number: 135591-00-3
Category: Main Product
Molecular Formula:
C12H10Cl2N2O4
Molecular Weight:
317.13
COA:
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Purity:
95%
Synonyms:
1-(2,4-Dichlorophenyl)-4,5-dihydro-5-methyl-1H-pyrazole-3,5-dicarboxylic acid; Mefenpyr
MSDS:
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Quantity:
Data not available, please inquire.
Boiling Point:
533.3ºC at 760 mmHg
Density:
1.61 g/cm3
InChIKey:
XEJNEDVTJPXRSM-UHFFFAOYSA-N
InChI:
InChI=1S/C12H10Cl2N2O4/c1-12(11(19)20)5-8(10(17)18)15-16(12)9-3-2-6(13)4-7(9)14/h2-4H,5H2,1H3,(H,17,18)(H,19,20)
Canonical SMILES:
CC1(CC(=NN1C2=C(C=C(C=C2)Cl)Cl)C(=O)O)C(=O)O
1.Hydrolysis of mefenpyrdiethyl: an analytical and DFT investigation.
Chnirheb A1, Harir M, Kanawati B, Fekete A, El Azzouzi M, Hertkorn N, Schmitt-Kopplin P. Anal Bioanal Chem. 2010 Nov;398(5):2325-34. doi: 10.1007/s00216-010-4154-1. Epub 2010 Sep 12.
The hydrolysis of the herbicide safener mefenpyrdiethyl (1-(2, 4-dichlorophenyl)-4, 5-dihydro-5-methyl-1H-pyrazole-3,5-dicarboxylic acid diethyl ester) was investigated in aqueous solutions in the pH range from 2 to 9 and the temperature range from 298 to 323 K. The kinetics of hydrolysis were pseudo first order and were found to be strongly pH and temperature dependent. While near-constant in acidic medium, the hydrolysis rates strongly increased in alkaline pH, and total hydrolysis was observed at pH 11. Two main hydrolysis products, mefenpyrethyl (monoester) and mefenpyr (dicarboxylic acid) were isolated by ultrahigh-pressure liquid chromatography (UHPLC) and characterized using high-resolution Fourier transform ion cyclotron resonance mass spectroscopy (ICR-FT/MS) as well as (1)H, (13)C and 2D NMR analyses. Additionally, a density functional theory (DFT) investigation explained the stability of the pesticide at pH 7 and the high reactivity of the pesticide in alkaline medium.
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CAS 135591-00-3 1-(2,4-Dichlorophenyl)-4,5-dihydro-5-methyl-1H-pyrazole-3,5-dicarboxylic acid

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